USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 LYS NZ :NH3+ -150:sc= 0.106 (180deg=0.00224) USER MOD Single : A 10 THR OG1 : rot 170:sc= -0.973 USER MOD Single : A 15 ASN :FLIP amide:sc= -1.78 F(o=-3.9!,f=-1.8) USER MOD Single : A 16 GLN :FLIP amide:sc= -3.48! C(o=-5.1!,f=-3.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -5.5! C(o=-5.5!,f=-5.4!) USER MOD Single : A 23 SER OG : rot 55:sc= 0.484 USER MOD Single : A 28 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.3) USER MOD Single : A 30 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.26) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -5.2! C(o=-5.2!,f=-7.9!) USER MOD Single : A 46 GLN : amide:sc= -14! C(o=-14!,f=-15!) USER MOD Single : A 51 HIS : no HD1:sc= -10.5! C(o=-10!,f=-12!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl -133:sc=-0.00227 (180deg=-2.48!) USER MOD Single : A 61 CYS SG : rot -91:sc= -2.95! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= -0.0162 (180deg=-0.348) USER MOD Single : A 66 SER OG : rot -152:sc= -3.12! USER MOD Single : A 67 LYS NZ :NH3+ -108:sc= -5.22! (180deg=-10.9!) USER MOD Single : A 72 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.00081) USER MOD Single : A 73 LYS NZ :NH3+ -158:sc= 0.604 (180deg=-0.29) USER MOD Single : A 75 ASN : amide:sc= -2.23! C(o=-2.2!,f=-3.1!) USER MOD Single : A 77 GLN : amide:sc= -0.918 K(o=-0.92,f=-2.9) USER MOD Single : A 79 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.1!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 3.796 50.748 1.361 1.00 0.00 N ATOM 93 CA LYS A 8 3.976 49.469 2.042 1.00 0.00 C ATOM 94 C LYS A 8 5.455 49.212 2.327 1.00 0.00 C ATOM 95 O LYS A 8 6.305 50.053 2.037 1.00 0.00 O ATOM 96 CB LYS A 8 3.400 48.338 1.186 1.00 0.00 C ATOM 97 CG LYS A 8 1.897 48.565 1.003 1.00 0.00 C ATOM 98 CD LYS A 8 1.267 47.350 0.317 1.00 0.00 C ATOM 99 CE LYS A 8 -0.155 47.701 -0.135 1.00 0.00 C ATOM 100 NZ LYS A 8 -1.133 46.767 0.491 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.445 49.504 2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.897 48.310 0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.580 47.375 1.664 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.425 48.732 1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.726 49.460 0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.869 47.050 -0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.244 46.503 1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.391 48.728 0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.226 47.641 -1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.950 46.645 -0.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.679 45.845 0.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.453 47.158 1.400 1.00 0.00 H new ATOM 114 N PHE A 9 5.754 48.053 2.911 1.00 0.00 N ATOM 115 CA PHE A 9 7.135 47.709 3.247 1.00 0.00 C ATOM 116 C PHE A 9 7.928 47.338 1.995 1.00 0.00 C ATOM 117 O PHE A 9 7.370 46.829 1.024 1.00 0.00 O ATOM 118 CB PHE A 9 7.158 46.535 4.229 1.00 0.00 C ATOM 119 CG PHE A 9 6.778 47.014 5.612 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.742 47.600 6.441 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.463 46.866 6.065 1.00 0.00 C ATOM 122 CE1 PHE A 9 7.389 48.039 7.724 1.00 0.00 C ATOM 123 CE2 PHE A 9 5.110 47.303 7.348 1.00 0.00 C ATOM 124 CZ PHE A 9 6.073 47.890 8.178 1.00 0.00 C ATOM 0 H PHE A 9 5.066 47.342 3.160 1.00 0.00 H new ATOM 0 HA PHE A 9 7.598 48.582 3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.465 45.760 3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.151 46.086 4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.758 47.714 6.092 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.719 46.414 5.425 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.132 48.492 8.363 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.095 47.187 7.697 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.801 48.227 9.167 1.00 0.00 H new ATOM 134 N THR A 10 9.231 47.610 2.029 1.00 0.00 N ATOM 135 CA THR A 10 10.100 47.315 0.894 1.00 0.00 C ATOM 136 C THR A 10 10.586 45.875 0.932 1.00 0.00 C ATOM 137 O THR A 10 10.572 45.232 1.977 1.00 0.00 O ATOM 138 CB THR A 10 11.317 48.237 0.912 1.00 0.00 C ATOM 139 OG1 THR A 10 12.160 47.875 1.992 1.00 0.00 O ATOM 140 CG2 THR A 10 10.865 49.687 1.075 1.00 0.00 C ATOM 0 H THR A 10 9.706 48.032 2.827 1.00 0.00 H new ATOM 0 HA THR A 10 9.519 47.473 -0.014 1.00 0.00 H new ATOM 0 HB THR A 10 11.862 48.138 -0.027 1.00 0.00 H new ATOM 0 HG1 THR A 10 13.013 48.351 1.915 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.737 50.341 1.087 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.217 49.962 0.243 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.318 49.794 2.012 1.00 0.00 H new ATOM 148 N ASP A 11 11.022 45.377 -0.219 1.00 0.00 N ATOM 149 CA ASP A 11 11.514 44.012 -0.310 1.00 0.00 C ATOM 150 C ASP A 11 12.623 43.767 0.710 1.00 0.00 C ATOM 151 O ASP A 11 12.670 42.706 1.333 1.00 0.00 O ATOM 152 CB ASP A 11 12.050 43.748 -1.717 1.00 0.00 C ATOM 153 CG ASP A 11 10.910 43.808 -2.729 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.785 43.551 -2.336 1.00 0.00 O1- ATOM 155 OD2 ASP A 11 11.179 44.109 -3.880 1.00 0.00 O ATOM 0 H ASP A 11 11.044 45.896 -1.097 1.00 0.00 H new ATOM 0 HA ASP A 11 10.687 43.334 -0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.811 44.486 -1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.530 42.770 -1.755 1.00 0.00 H new ATOM 160 N ASP A 12 13.512 44.746 0.885 1.00 0.00 N ATOM 161 CA ASP A 12 14.598 44.592 1.843 1.00 0.00 C ATOM 162 C ASP A 12 14.046 44.577 3.257 1.00 0.00 C ATOM 163 O ASP A 12 14.433 43.744 4.077 1.00 0.00 O ATOM 164 CB ASP A 12 15.618 45.720 1.687 1.00 0.00 C ATOM 165 CG ASP A 12 16.389 45.545 0.383 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.180 44.537 -0.273 1.00 0.00 O1- ATOM 167 OD2 ASP A 12 17.178 46.417 0.059 1.00 0.00 O ATOM 0 H ASP A 12 13.500 45.635 0.385 1.00 0.00 H new ATOM 0 HA ASP A 12 15.100 43.645 1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.110 46.685 1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.308 45.718 2.531 1.00 0.00 H new ATOM 172 N GLU A 13 13.119 45.489 3.529 1.00 0.00 N ATOM 173 CA GLU A 13 12.498 45.553 4.842 1.00 0.00 C ATOM 174 C GLU A 13 11.695 44.287 5.076 1.00 0.00 C ATOM 175 O GLU A 13 11.673 43.729 6.174 1.00 0.00 O ATOM 176 CB GLU A 13 11.553 46.749 4.911 1.00 0.00 C ATOM 177 CG GLU A 13 12.350 48.054 4.890 1.00 0.00 C ATOM 178 CD GLU A 13 11.394 49.241 4.917 1.00 0.00 C ATOM 179 OE1 GLU A 13 10.213 49.028 4.698 1.00 0.00 O ATOM 180 OE2 GLU A 13 11.856 50.344 5.158 1.00 0.00 O1- ATOM 0 H GLU A 13 12.785 46.186 2.864 1.00 0.00 H new ATOM 0 HA GLU A 13 13.275 45.655 5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.861 46.724 4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.953 46.696 5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.021 48.095 5.748 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.973 48.097 3.996 1.00 0.00 H new ATOM 187 N TRP A 14 11.022 43.854 4.020 1.00 0.00 N ATOM 188 CA TRP A 14 10.191 42.672 4.071 1.00 0.00 C ATOM 189 C TRP A 14 11.030 41.434 4.362 1.00 0.00 C ATOM 190 O TRP A 14 10.689 40.645 5.238 1.00 0.00 O ATOM 191 CB TRP A 14 9.464 42.530 2.732 1.00 0.00 C ATOM 192 CG TRP A 14 8.192 41.763 2.900 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.850 40.691 2.160 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.087 41.990 3.830 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.614 40.228 2.579 1.00 0.00 N ATOM 196 CE2 TRP A 14 6.104 40.996 3.607 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.842 42.945 4.839 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.925 40.949 4.353 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.656 42.898 5.589 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.702 41.904 5.347 1.00 0.00 C ATOM 0 H TRP A 14 11.040 44.314 3.110 1.00 0.00 H new ATOM 0 HA TRP A 14 9.463 42.770 4.876 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.248 43.517 2.323 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.109 42.022 2.015 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.444 40.261 1.367 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.139 39.419 2.178 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.571 43.717 5.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.191 40.180 4.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.479 43.635 6.359 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.793 41.875 5.929 1.00 0.00 H new ATOM 211 N ASN A 15 12.131 41.267 3.635 1.00 0.00 N ATOM 212 CA ASN A 15 12.998 40.109 3.839 1.00 0.00 C ATOM 213 C ASN A 15 13.463 40.022 5.290 1.00 0.00 C ATOM 214 O ASN A 15 13.456 38.949 5.895 1.00 0.00 O ATOM 215 CB ASN A 15 14.217 40.215 2.928 1.00 0.00 C ATOM 216 CG ASN A 15 13.770 40.244 1.469 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.544 39.921 1.171 1.00 0.00 O flip ATOM 218 ND2 ASN A 15 14.558 40.572 0.581 1.00 0.00 N flip ATOM 0 H ASN A 15 12.442 41.910 2.907 1.00 0.00 H new ATOM 0 HA ASN A 15 12.429 39.211 3.600 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.781 41.118 3.163 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.884 39.369 3.097 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.517 40.824 0.818 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.251 40.591 -0.392 1.00 0.00 H new ATOM 225 N GLN A 16 13.855 41.162 5.845 1.00 0.00 N ATOM 226 CA GLN A 16 14.312 41.198 7.229 1.00 0.00 C ATOM 227 C GLN A 16 13.172 40.750 8.133 1.00 0.00 C ATOM 228 O GLN A 16 13.365 39.981 9.074 1.00 0.00 O ATOM 229 CB GLN A 16 14.765 42.612 7.594 1.00 0.00 C ATOM 230 CG GLN A 16 16.056 42.936 6.838 1.00 0.00 C ATOM 231 CD GLN A 16 15.962 44.315 6.195 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.182 45.220 6.715 1.00 0.00 O flip ATOM 233 NE2 GLN A 16 16.621 44.574 5.188 1.00 0.00 N flip ATOM 0 H GLN A 16 13.866 42.063 5.366 1.00 0.00 H new ATOM 0 HA GLN A 16 15.161 40.527 7.358 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.989 43.333 7.338 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.930 42.688 8.669 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.904 42.904 7.522 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.236 42.182 6.072 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.231 43.865 4.782 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.557 45.498 4.760 1.00 0.00 H new ATOM 242 N LEU A 17 11.976 41.225 7.813 1.00 0.00 N ATOM 243 CA LEU A 17 10.785 40.862 8.566 1.00 0.00 C ATOM 244 C LEU A 17 10.533 39.359 8.473 1.00 0.00 C ATOM 245 O LEU A 17 10.150 38.723 9.457 1.00 0.00 O ATOM 246 CB LEU A 17 9.589 41.631 8.001 1.00 0.00 C ATOM 247 CG LEU A 17 8.295 41.168 8.673 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.250 41.656 10.120 1.00 0.00 C ATOM 249 CD2 LEU A 17 7.102 41.741 7.907 1.00 0.00 C ATOM 0 H LEU A 17 11.806 41.863 7.036 1.00 0.00 H new ATOM 0 HA LEU A 17 10.927 41.119 9.616 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.727 42.700 8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.524 41.475 6.924 1.00 0.00 H new ATOM 0 HG LEU A 17 8.255 40.079 8.665 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.325 41.321 10.588 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.101 41.251 10.667 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.292 42.745 10.138 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.176 41.415 8.380 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.152 42.830 7.918 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.127 41.387 6.876 1.00 0.00 H new ATOM 261 N LYS A 18 10.751 38.798 7.286 1.00 0.00 N ATOM 262 CA LYS A 18 10.543 37.366 7.084 1.00 0.00 C ATOM 263 C LYS A 18 11.403 36.574 8.052 1.00 0.00 C ATOM 264 O LYS A 18 10.961 35.578 8.627 1.00 0.00 O ATOM 265 CB LYS A 18 10.929 36.958 5.661 1.00 0.00 C ATOM 266 CG LYS A 18 9.985 37.597 4.646 1.00 0.00 C ATOM 267 CD LYS A 18 10.294 37.021 3.268 1.00 0.00 C ATOM 268 CE LYS A 18 9.648 37.885 2.189 1.00 0.00 C ATOM 269 NZ LYS A 18 8.910 37.019 1.228 1.00 0.00 N1+ ATOM 0 H LYS A 18 11.067 39.305 6.459 1.00 0.00 H new ATOM 0 HA LYS A 18 9.487 37.155 7.253 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.955 37.263 5.455 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.894 35.873 5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.948 37.398 4.916 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.111 38.680 4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.372 36.978 3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.922 35.999 3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.966 38.603 2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.411 38.459 1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.471 37.611 0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.572 36.351 0.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.171 36.490 1.734 1.00 0.00 H new ATOM 283 N GLN A 19 12.640 37.020 8.218 1.00 0.00 N ATOM 284 CA GLN A 19 13.566 36.342 9.110 1.00 0.00 C ATOM 285 C GLN A 19 13.087 36.410 10.552 1.00 0.00 C ATOM 286 O GLN A 19 13.203 35.435 11.286 1.00 0.00 O ATOM 287 CB GLN A 19 14.964 36.939 8.972 1.00 0.00 C ATOM 288 CG GLN A 19 15.701 36.211 7.843 1.00 0.00 C ATOM 289 CD GLN A 19 14.965 36.401 6.518 1.00 0.00 C ATOM 290 OE1 GLN A 19 15.071 37.456 5.896 1.00 0.00 O ATOM 291 NE2 GLN A 19 14.223 35.434 6.048 1.00 0.00 N ATOM 0 H GLN A 19 13.022 37.842 7.750 1.00 0.00 H new ATOM 0 HA GLN A 19 13.608 35.291 8.826 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.900 38.005 8.755 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.512 36.837 9.908 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.719 36.592 7.759 1.00 0.00 H new ATOM 0 HG3 GLN A 19 15.777 35.149 8.075 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.137 34.560 6.566 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.730 35.553 5.163 1.00 0.00 H new ATOM 300 N ASP A 20 12.540 37.551 10.966 1.00 0.00 N ATOM 301 CA ASP A 20 12.058 37.669 12.334 1.00 0.00 C ATOM 302 C ASP A 20 10.997 36.607 12.605 1.00 0.00 C ATOM 303 O ASP A 20 11.015 35.962 13.654 1.00 0.00 O ATOM 304 CB ASP A 20 11.469 39.057 12.573 1.00 0.00 C ATOM 305 CG ASP A 20 12.580 40.100 12.568 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.734 39.707 12.562 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.260 41.277 12.574 1.00 0.00 O ATOM 0 H ASP A 20 12.423 38.384 10.390 1.00 0.00 H new ATOM 0 HA ASP A 20 12.898 37.521 13.013 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.737 39.289 11.799 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.942 39.079 13.527 1.00 0.00 H new ATOM 312 N PHE A 21 10.087 36.403 11.649 1.00 0.00 N ATOM 313 CA PHE A 21 9.055 35.387 11.819 1.00 0.00 C ATOM 314 C PHE A 21 9.708 34.017 11.898 1.00 0.00 C ATOM 315 O PHE A 21 9.455 33.242 12.817 1.00 0.00 O ATOM 316 CB PHE A 21 8.074 35.388 10.639 1.00 0.00 C ATOM 317 CG PHE A 21 7.267 36.668 10.590 1.00 0.00 C ATOM 318 CD1 PHE A 21 6.598 37.138 11.730 1.00 0.00 C ATOM 319 CD2 PHE A 21 7.173 37.377 9.385 1.00 0.00 C ATOM 320 CE1 PHE A 21 5.844 38.316 11.660 1.00 0.00 C ATOM 321 CE2 PHE A 21 6.417 38.553 9.319 1.00 0.00 C ATOM 322 CZ PHE A 21 5.754 39.024 10.457 1.00 0.00 C ATOM 0 H PHE A 21 10.046 36.917 10.769 1.00 0.00 H new ATOM 0 HA PHE A 21 8.508 35.611 12.735 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.625 35.268 9.706 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.401 34.535 10.723 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.664 36.592 12.660 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.685 37.015 8.506 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.330 38.679 12.538 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.346 39.097 8.389 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.173 39.933 10.407 1.00 0.00 H new ATOM 332 N ILE A 22 10.573 33.740 10.929 1.00 0.00 N ATOM 333 CA ILE A 22 11.282 32.472 10.903 1.00 0.00 C ATOM 334 C ILE A 22 12.065 32.323 12.195 1.00 0.00 C ATOM 335 O ILE A 22 12.094 31.255 12.805 1.00 0.00 O ATOM 336 CB ILE A 22 12.234 32.426 9.704 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.429 32.504 8.403 1.00 0.00 C ATOM 338 CG2 ILE A 22 13.023 31.118 9.734 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.359 32.860 7.239 1.00 0.00 C ATOM 0 H ILE A 22 10.797 34.371 10.160 1.00 0.00 H new ATOM 0 HA ILE A 22 10.568 31.654 10.808 1.00 0.00 H new ATOM 0 HB ILE A 22 12.921 33.271 9.755 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.939 31.550 8.210 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.643 33.254 8.495 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.701 31.083 8.882 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.598 31.061 10.658 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.333 30.276 9.684 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.782 32.914 6.316 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.829 33.825 7.431 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.129 32.095 7.141 1.00 0.00 H new ATOM 351 N SER A 23 12.686 33.419 12.604 1.00 0.00 N ATOM 352 CA SER A 23 13.464 33.443 13.831 1.00 0.00 C ATOM 353 C SER A 23 12.591 33.062 15.028 1.00 0.00 C ATOM 354 O SER A 23 12.957 32.206 15.830 1.00 0.00 O ATOM 355 CB SER A 23 14.026 34.848 14.045 1.00 0.00 C ATOM 356 OG SER A 23 14.810 35.216 12.918 1.00 0.00 O ATOM 0 H SER A 23 12.665 34.306 12.101 1.00 0.00 H new ATOM 0 HA SER A 23 14.278 32.723 13.745 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.213 35.560 14.185 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.633 34.876 14.950 1.00 0.00 H new ATOM 0 HG SER A 23 14.275 35.123 12.103 1.00 0.00 H new ATOM 362 N GLY A 24 11.435 33.714 15.135 1.00 0.00 N ATOM 363 CA GLY A 24 10.506 33.453 16.235 1.00 0.00 C ATOM 364 C GLY A 24 9.936 32.038 16.168 1.00 0.00 C ATOM 365 O GLY A 24 9.605 31.443 17.191 1.00 0.00 O ATOM 0 H GLY A 24 11.119 34.425 14.476 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.019 33.594 17.186 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.691 34.176 16.202 1.00 0.00 H new ATOM 369 N ILE A 25 9.823 31.501 14.958 1.00 0.00 N ATOM 370 CA ILE A 25 9.288 30.154 14.778 1.00 0.00 C ATOM 371 C ILE A 25 10.285 29.105 15.263 1.00 0.00 C ATOM 372 O ILE A 25 9.919 28.179 15.989 1.00 0.00 O ATOM 373 CB ILE A 25 8.966 29.931 13.297 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.830 30.872 12.889 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.539 28.479 13.060 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.486 30.219 13.220 1.00 0.00 C ATOM 0 H ILE A 25 10.092 31.972 14.094 1.00 0.00 H new ATOM 0 HA ILE A 25 8.378 30.053 15.369 1.00 0.00 H new ATOM 0 HB ILE A 25 9.854 30.136 12.699 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.924 31.823 13.414 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.888 31.090 11.823 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.313 28.334 12.004 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.348 27.809 13.353 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.652 28.259 13.654 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.675 30.888 12.930 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.394 29.280 12.675 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.430 30.024 14.291 1.00 0.00 H new ATOM 388 N LEU A 26 11.546 29.258 14.872 1.00 0.00 N ATOM 389 CA LEU A 26 12.581 28.318 15.290 1.00 0.00 C ATOM 390 C LEU A 26 13.053 28.638 16.708 1.00 0.00 C ATOM 391 O LEU A 26 13.485 27.752 17.444 1.00 0.00 O ATOM 392 CB LEU A 26 13.762 28.365 14.310 1.00 0.00 C ATOM 393 CG LEU A 26 14.840 29.324 14.827 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.692 28.613 15.884 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.742 29.762 13.665 1.00 0.00 C ATOM 0 H LEU A 26 11.874 30.015 14.273 1.00 0.00 H new ATOM 0 HA LEU A 26 12.161 27.312 15.287 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.182 27.367 14.187 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.417 28.689 13.328 1.00 0.00 H new ATOM 0 HG LEU A 26 14.361 30.199 15.267 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.459 29.295 16.252 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.057 28.300 16.713 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.167 27.738 15.440 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.507 30.444 14.036 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.219 28.886 13.224 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.141 30.267 12.909 1.00 0.00 H new ATOM 407 N GLU A 27 12.953 29.910 17.086 1.00 0.00 N ATOM 408 CA GLU A 27 13.361 30.337 18.423 1.00 0.00 C ATOM 409 C GLU A 27 12.356 29.861 19.468 1.00 0.00 C ATOM 410 O GLU A 27 12.735 29.354 20.524 1.00 0.00 O ATOM 411 CB GLU A 27 13.470 31.866 18.474 1.00 0.00 C ATOM 412 CG GLU A 27 13.794 32.320 19.902 1.00 0.00 C ATOM 413 CD GLU A 27 15.187 31.846 20.304 1.00 0.00 C ATOM 414 OE1 GLU A 27 15.976 31.567 19.416 1.00 0.00 O1- ATOM 415 OE2 GLU A 27 15.443 31.765 21.495 1.00 0.00 O ATOM 0 H GLU A 27 12.596 30.658 16.491 1.00 0.00 H new ATOM 0 HA GLU A 27 14.333 29.896 18.644 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.247 32.207 17.790 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.534 32.317 18.143 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.739 33.407 19.967 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.053 31.922 20.595 1.00 0.00 H new ATOM 422 N ASN A 28 11.074 30.026 19.167 1.00 0.00 N ATOM 423 CA ASN A 28 10.026 29.606 20.088 1.00 0.00 C ATOM 424 C ASN A 28 9.632 28.156 19.840 1.00 0.00 C ATOM 425 O ASN A 28 9.992 27.564 18.823 1.00 0.00 O ATOM 426 CB ASN A 28 8.798 30.502 19.933 1.00 0.00 C ATOM 427 CG ASN A 28 9.175 31.950 20.210 1.00 0.00 C ATOM 428 OD1 ASN A 28 9.839 32.242 21.206 1.00 0.00 O ATOM 429 ND2 ASN A 28 8.793 32.877 19.381 1.00 0.00 N ATOM 0 H ASN A 28 10.737 30.444 18.300 1.00 0.00 H new ATOM 0 HA ASN A 28 10.414 29.694 21.103 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.394 30.409 18.925 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.015 30.183 20.621 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.043 33.851 19.554 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.243 32.630 18.558 1.00 0.00 H new ATOM 436 N GLU A 29 8.886 27.593 20.777 1.00 0.00 N ATOM 437 CA GLU A 29 8.440 26.211 20.660 1.00 0.00 C ATOM 438 C GLU A 29 7.604 26.016 19.397 1.00 0.00 C ATOM 439 O GLU A 29 7.489 24.902 18.889 1.00 0.00 O ATOM 440 CB GLU A 29 7.609 25.831 21.882 1.00 0.00 C ATOM 441 CG GLU A 29 7.358 24.321 21.885 1.00 0.00 C ATOM 442 CD GLU A 29 8.658 23.576 22.172 1.00 0.00 C ATOM 443 OE1 GLU A 29 9.561 24.188 22.720 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 8.735 22.405 21.837 1.00 0.00 O ATOM 0 H GLU A 29 8.577 28.068 21.625 1.00 0.00 H new ATOM 0 HA GLU A 29 9.320 25.571 20.599 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.129 26.125 22.794 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.660 26.367 21.870 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.611 24.070 22.638 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.956 24.009 20.921 1.00 0.00 H new ATOM 451 N GLN A 30 7.013 27.101 18.901 1.00 0.00 N ATOM 452 CA GLN A 30 6.183 27.019 17.701 1.00 0.00 C ATOM 453 C GLN A 30 6.932 26.293 16.589 1.00 0.00 C ATOM 454 O GLN A 30 6.367 25.980 15.540 1.00 0.00 O ATOM 455 CB GLN A 30 5.792 28.421 17.237 1.00 0.00 C ATOM 456 CG GLN A 30 5.108 29.151 18.393 1.00 0.00 C ATOM 457 CD GLN A 30 3.948 28.313 18.920 1.00 0.00 C ATOM 458 OE1 GLN A 30 2.877 28.280 18.314 1.00 0.00 O ATOM 459 NE2 GLN A 30 4.105 27.613 20.011 1.00 0.00 N ATOM 0 H GLN A 30 7.091 28.035 19.304 1.00 0.00 H new ATOM 0 HA GLN A 30 5.279 26.459 17.940 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.676 28.971 16.913 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.122 28.361 16.379 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.825 29.338 19.192 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.744 30.122 18.057 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.993 27.642 20.512 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.340 27.038 20.362 1.00 0.00 H new ATOM 468 N LYS A 31 8.206 26.023 16.841 1.00 0.00 N ATOM 469 CA LYS A 31 9.050 25.324 15.880 1.00 0.00 C ATOM 470 C LYS A 31 8.485 23.940 15.570 1.00 0.00 C ATOM 471 O LYS A 31 8.661 23.415 14.471 1.00 0.00 O ATOM 472 CB LYS A 31 10.453 25.174 16.465 1.00 0.00 C ATOM 473 CG LYS A 31 10.355 24.371 17.764 1.00 0.00 C ATOM 474 CD LYS A 31 11.728 24.274 18.425 1.00 0.00 C ATOM 475 CE LYS A 31 11.653 23.277 19.582 1.00 0.00 C ATOM 476 NZ LYS A 31 11.930 21.906 19.071 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.680 26.279 17.707 1.00 0.00 H new ATOM 0 HA LYS A 31 9.084 25.902 14.956 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.107 24.668 15.755 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.890 26.154 16.658 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.649 24.848 18.443 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.972 23.372 17.555 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.474 23.952 17.698 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.040 25.252 18.790 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.376 23.543 20.353 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.666 23.313 20.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.880 21.226 19.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.224 21.655 18.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.880 21.878 18.649 1.00 0.00 H new ATOM 490 N ASP A 32 7.811 23.351 16.548 1.00 0.00 N ATOM 491 CA ASP A 32 7.230 22.029 16.372 1.00 0.00 C ATOM 492 C ASP A 32 6.251 22.043 15.202 1.00 0.00 C ATOM 493 O ASP A 32 6.136 21.070 14.456 1.00 0.00 O ATOM 494 CB ASP A 32 6.495 21.615 17.647 1.00 0.00 C ATOM 495 CG ASP A 32 7.455 21.604 18.832 1.00 0.00 C ATOM 496 OD1 ASP A 32 8.654 21.583 18.603 1.00 0.00 O1- ATOM 497 OD2 ASP A 32 6.977 21.625 19.956 1.00 0.00 O ATOM 0 H ASP A 32 7.654 23.766 17.467 1.00 0.00 H new ATOM 0 HA ASP A 32 8.027 21.315 16.165 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.674 22.305 17.842 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.056 20.626 17.517 1.00 0.00 H new ATOM 502 N LEU A 33 5.547 23.162 15.054 1.00 0.00 N ATOM 503 CA LEU A 33 4.576 23.316 13.980 1.00 0.00 C ATOM 504 C LEU A 33 5.261 23.241 12.618 1.00 0.00 C ATOM 505 O LEU A 33 4.715 22.678 11.668 1.00 0.00 O ATOM 506 CB LEU A 33 3.860 24.657 14.130 1.00 0.00 C ATOM 507 CG LEU A 33 2.871 24.581 15.297 1.00 0.00 C ATOM 508 CD1 LEU A 33 3.632 24.433 16.617 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.035 25.862 15.341 1.00 0.00 C ATOM 0 H LEU A 33 5.632 23.974 15.665 1.00 0.00 H new ATOM 0 HA LEU A 33 3.850 22.505 14.043 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.586 25.451 14.306 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.333 24.905 13.209 1.00 0.00 H new ATOM 0 HG LEU A 33 2.220 23.718 15.156 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.922 24.380 17.442 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.229 23.521 16.592 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.288 25.292 16.757 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.331 25.809 16.171 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.692 26.721 15.477 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.486 25.970 14.406 1.00 0.00 H new ATOM 521 N VAL A 34 6.467 23.796 12.537 1.00 0.00 N ATOM 522 CA VAL A 34 7.228 23.771 11.295 1.00 0.00 C ATOM 523 C VAL A 34 7.654 22.341 10.988 1.00 0.00 C ATOM 524 O VAL A 34 7.665 21.917 9.832 1.00 0.00 O ATOM 525 CB VAL A 34 8.459 24.679 11.418 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.667 24.032 10.738 1.00 0.00 C ATOM 527 CG2 VAL A 34 8.172 26.016 10.738 1.00 0.00 C ATOM 0 H VAL A 34 6.935 24.265 13.312 1.00 0.00 H new ATOM 0 HA VAL A 34 6.604 24.139 10.480 1.00 0.00 H new ATOM 0 HB VAL A 34 8.677 24.831 12.475 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.533 24.688 10.833 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.883 23.075 11.213 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.448 23.872 9.682 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.045 26.663 10.824 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.948 25.848 9.685 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.318 26.493 11.219 1.00 0.00 H new ATOM 537 N ALA A 35 8.007 21.608 12.036 1.00 0.00 N ATOM 538 CA ALA A 35 8.434 20.224 11.880 1.00 0.00 C ATOM 539 C ALA A 35 7.306 19.389 11.286 1.00 0.00 C ATOM 540 O ALA A 35 7.533 18.573 10.393 1.00 0.00 O ATOM 541 CB ALA A 35 8.839 19.652 13.240 1.00 0.00 C ATOM 0 H ALA A 35 8.006 21.946 12.998 1.00 0.00 H new ATOM 0 HA ALA A 35 9.289 20.193 11.205 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.158 18.617 13.119 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.660 20.239 13.652 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.988 19.692 13.920 1.00 0.00 H new ATOM 689 N ASN A 45 11.978 26.288 7.845 1.00 0.00 N ATOM 690 CA ASN A 45 10.689 26.903 8.114 1.00 0.00 C ATOM 691 C ASN A 45 9.904 27.077 6.825 1.00 0.00 C ATOM 692 O ASN A 45 9.110 28.009 6.690 1.00 0.00 O ATOM 693 CB ASN A 45 10.888 28.254 8.797 1.00 0.00 C ATOM 694 CG ASN A 45 11.654 28.057 10.100 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.071 27.666 11.112 1.00 0.00 O ATOM 696 ND2 ASN A 45 12.937 28.297 10.136 1.00 0.00 N ATOM 0 HA ASN A 45 10.122 26.250 8.778 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.436 28.929 8.139 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.922 28.718 8.997 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.457 28.161 11.003 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.419 28.621 9.297 1.00 0.00 H new ATOM 703 N GLN A 46 10.165 26.185 5.874 1.00 0.00 N ATOM 704 CA GLN A 46 9.515 26.231 4.568 1.00 0.00 C ATOM 705 C GLN A 46 9.513 27.660 4.042 1.00 0.00 C ATOM 706 O GLN A 46 8.469 28.287 3.868 1.00 0.00 O ATOM 707 CB GLN A 46 8.091 25.649 4.635 1.00 0.00 C ATOM 708 CG GLN A 46 7.198 26.451 5.588 1.00 0.00 C ATOM 709 CD GLN A 46 7.435 26.027 7.027 1.00 0.00 C ATOM 710 OE1 GLN A 46 8.275 25.170 7.299 1.00 0.00 O ATOM 711 NE2 GLN A 46 6.734 26.588 7.970 1.00 0.00 N ATOM 0 H GLN A 46 10.827 25.417 5.985 1.00 0.00 H new ATOM 0 HA GLN A 46 10.079 25.610 3.872 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.651 25.647 3.638 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.137 24.611 4.965 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.404 27.516 5.478 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.151 26.300 5.327 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.040 27.298 7.736 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.879 26.318 8.943 1.00 0.00 H new ATOM 720 N LEU A 47 10.716 28.161 3.798 1.00 0.00 N ATOM 721 CA LEU A 47 10.886 29.519 3.303 1.00 0.00 C ATOM 722 C LEU A 47 9.961 29.793 2.119 1.00 0.00 C ATOM 723 O LEU A 47 9.298 30.826 2.068 1.00 0.00 O ATOM 724 CB LEU A 47 12.335 29.754 2.861 1.00 0.00 C ATOM 725 CG LEU A 47 13.292 29.452 4.013 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.708 29.876 3.624 1.00 0.00 C ATOM 727 CD2 LEU A 47 12.851 30.225 5.258 1.00 0.00 C ATOM 0 H LEU A 47 11.587 27.648 3.935 1.00 0.00 H new ATOM 0 HA LEU A 47 10.635 30.196 4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.570 29.119 2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.461 30.786 2.535 1.00 0.00 H new ATOM 0 HG LEU A 47 13.279 28.383 4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.391 29.661 4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.022 29.325 2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.722 30.945 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.533 30.010 6.080 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.864 31.294 5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.841 29.922 5.536 1.00 0.00 H new ATOM 739 N ASP A 48 9.947 28.878 1.156 1.00 0.00 N ATOM 740 CA ASP A 48 9.129 29.055 -0.040 1.00 0.00 C ATOM 741 C ASP A 48 7.644 29.182 0.292 1.00 0.00 C ATOM 742 O ASP A 48 6.999 30.148 -0.118 1.00 0.00 O ATOM 743 CB ASP A 48 9.345 27.874 -0.990 1.00 0.00 C ATOM 744 CG ASP A 48 8.941 26.568 -0.311 1.00 0.00 C ATOM 745 OD1 ASP A 48 8.945 26.530 0.908 1.00 0.00 O ATOM 746 OD2 ASP A 48 8.638 25.625 -1.021 1.00 0.00 O1- ATOM 0 H ASP A 48 10.487 28.013 1.178 1.00 0.00 H new ATOM 0 HA ASP A 48 9.440 29.984 -0.518 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.759 28.017 -1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.392 27.827 -1.291 1.00 0.00 H new ATOM 751 N LEU A 49 7.095 28.222 1.033 1.00 0.00 N ATOM 752 CA LEU A 49 5.681 28.290 1.386 1.00 0.00 C ATOM 753 C LEU A 49 5.419 29.420 2.374 1.00 0.00 C ATOM 754 O LEU A 49 4.427 30.140 2.248 1.00 0.00 O ATOM 755 CB LEU A 49 5.190 26.960 1.970 1.00 0.00 C ATOM 756 CG LEU A 49 4.881 25.972 0.836 1.00 0.00 C ATOM 757 CD1 LEU A 49 6.173 25.357 0.294 1.00 0.00 C ATOM 758 CD2 LEU A 49 3.978 24.860 1.374 1.00 0.00 C ATOM 0 H LEU A 49 7.593 27.408 1.392 1.00 0.00 H new ATOM 0 HA LEU A 49 5.126 28.491 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.948 26.542 2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.297 27.125 2.573 1.00 0.00 H new ATOM 0 HG LEU A 49 4.381 26.505 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.935 24.659 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.818 26.147 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.687 24.826 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.754 24.154 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.486 24.339 2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.050 25.293 1.746 1.00 0.00 H new ATOM 770 N LEU A 50 6.300 29.575 3.360 1.00 0.00 N ATOM 771 CA LEU A 50 6.116 30.627 4.352 1.00 0.00 C ATOM 772 C LEU A 50 6.066 31.982 3.664 1.00 0.00 C ATOM 773 O LEU A 50 5.224 32.819 3.989 1.00 0.00 O ATOM 774 CB LEU A 50 7.264 30.610 5.363 1.00 0.00 C ATOM 775 CG LEU A 50 6.978 31.598 6.494 1.00 0.00 C ATOM 776 CD1 LEU A 50 7.869 31.265 7.692 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.267 33.025 6.025 1.00 0.00 C ATOM 0 H LEU A 50 7.131 28.998 3.491 1.00 0.00 H new ATOM 0 HA LEU A 50 5.177 30.451 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.388 29.606 5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.199 30.871 4.868 1.00 0.00 H new ATOM 0 HG LEU A 50 5.929 31.523 6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.668 31.967 8.501 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.658 30.251 8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.916 31.339 7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.061 33.723 6.836 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.314 33.107 5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.632 33.263 5.171 1.00 0.00 H new ATOM 789 N HIS A 51 6.974 32.192 2.717 1.00 0.00 N ATOM 790 CA HIS A 51 7.036 33.449 1.986 1.00 0.00 C ATOM 791 C HIS A 51 5.722 33.747 1.271 1.00 0.00 C ATOM 792 O HIS A 51 5.189 34.852 1.378 1.00 0.00 O ATOM 793 CB HIS A 51 8.168 33.365 0.963 1.00 0.00 C ATOM 794 CG HIS A 51 9.478 33.293 1.691 1.00 0.00 C ATOM 795 ND1 HIS A 51 9.652 33.888 2.926 1.00 0.00 N ATOM 796 CD2 HIS A 51 10.687 32.726 1.372 1.00 0.00 C ATOM 797 CE1 HIS A 51 10.923 33.679 3.305 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.599 32.971 2.395 1.00 0.00 N ATOM 0 H HIS A 51 7.677 31.507 2.439 1.00 0.00 H new ATOM 0 HA HIS A 51 7.218 34.256 2.696 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.040 32.487 0.330 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.149 34.236 0.307 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.898 32.175 0.467 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.347 34.039 4.231 1.00 0.00 H new ATOM 0 HE2 HIS A 51 12.574 32.674 2.440 1.00 0.00 H new ATOM 807 N LYS A 52 5.210 32.768 0.534 1.00 0.00 N ATOM 808 CA LYS A 52 3.963 32.967 -0.193 1.00 0.00 C ATOM 809 C LYS A 52 2.862 33.345 0.793 1.00 0.00 C ATOM 810 O LYS A 52 2.068 34.253 0.542 1.00 0.00 O ATOM 811 CB LYS A 52 3.589 31.688 -0.957 1.00 0.00 C ATOM 812 CG LYS A 52 4.646 31.416 -2.032 1.00 0.00 C ATOM 813 CD LYS A 52 4.353 30.086 -2.731 1.00 0.00 C ATOM 814 CE LYS A 52 3.135 30.244 -3.638 1.00 0.00 C ATOM 815 NZ LYS A 52 1.993 29.481 -3.061 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.630 31.845 0.425 1.00 0.00 H new ATOM 0 HA LYS A 52 4.085 33.773 -0.917 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.527 30.844 -0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.606 31.798 -1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.651 32.226 -2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.637 31.388 -1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.217 29.773 -3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.170 29.307 -1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.872 31.298 -3.734 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.363 29.879 -4.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.160 29.585 -3.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.248 28.475 -2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.773 29.849 -2.114 1.00 0.00 H new ATOM 829 N TRP A 53 2.831 32.648 1.921 1.00 0.00 N ATOM 830 CA TRP A 53 1.843 32.908 2.961 1.00 0.00 C ATOM 831 C TRP A 53 1.937 34.361 3.446 1.00 0.00 C ATOM 832 O TRP A 53 0.949 35.097 3.449 1.00 0.00 O ATOM 833 CB TRP A 53 2.132 31.953 4.120 1.00 0.00 C ATOM 834 CG TRP A 53 0.985 31.883 5.073 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.062 31.033 4.972 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.770 32.653 6.286 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.903 31.230 6.053 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.434 32.221 6.890 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.499 33.675 6.917 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.898 32.783 8.080 1.00 0.00 C ATOM 841 CZ3 TRP A 53 1.037 34.244 8.112 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.160 33.799 8.694 1.00 0.00 C ATOM 0 H TRP A 53 3.482 31.894 2.140 1.00 0.00 H new ATOM 0 HA TRP A 53 0.837 32.752 2.570 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.342 30.958 3.728 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.026 32.282 4.649 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.216 30.318 4.178 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.764 30.707 6.211 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.422 34.025 6.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.820 32.436 8.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.606 35.029 8.588 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.510 34.241 9.615 1.00 0.00 H new ATOM 853 N LEU A 54 3.136 34.755 3.871 1.00 0.00 N ATOM 854 CA LEU A 54 3.354 36.112 4.379 1.00 0.00 C ATOM 855 C LEU A 54 2.949 37.153 3.335 1.00 0.00 C ATOM 856 O LEU A 54 2.183 38.072 3.623 1.00 0.00 O ATOM 857 CB LEU A 54 4.835 36.306 4.730 1.00 0.00 C ATOM 858 CG LEU A 54 5.009 37.523 5.649 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.673 37.133 7.089 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.461 37.996 5.598 1.00 0.00 C ATOM 0 H LEU A 54 3.966 34.162 3.875 1.00 0.00 H new ATOM 0 HA LEU A 54 2.740 36.244 5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.219 35.412 5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.417 36.444 3.819 1.00 0.00 H new ATOM 0 HG LEU A 54 4.343 38.319 5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.798 37.999 7.739 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.641 36.786 7.141 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.341 36.336 7.415 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.585 38.860 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.117 37.192 5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.718 38.273 4.576 1.00 0.00 H new ATOM 872 N ASP A 55 3.485 37.006 2.129 1.00 0.00 N ATOM 873 CA ASP A 55 3.194 37.941 1.046 1.00 0.00 C ATOM 874 C ASP A 55 1.695 38.054 0.770 1.00 0.00 C ATOM 875 O ASP A 55 1.177 39.155 0.576 1.00 0.00 O ATOM 876 CB ASP A 55 3.924 37.490 -0.219 1.00 0.00 C ATOM 877 CG ASP A 55 5.421 37.724 -0.055 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.785 38.523 0.792 1.00 0.00 O ATOM 879 OD2 ASP A 55 6.182 37.096 -0.773 1.00 0.00 O1- ATOM 0 H ASP A 55 4.122 36.251 1.876 1.00 0.00 H new ATOM 0 HA ASP A 55 3.542 38.928 1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.729 36.434 -0.407 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.552 38.042 -1.082 1.00 0.00 H new ATOM 884 N ARG A 56 0.999 36.921 0.744 1.00 0.00 N ATOM 885 CA ARG A 56 -0.438 36.926 0.482 1.00 0.00 C ATOM 886 C ARG A 56 -1.191 37.679 1.578 1.00 0.00 C ATOM 887 O ARG A 56 -2.229 38.289 1.323 1.00 0.00 O ATOM 888 CB ARG A 56 -0.960 35.489 0.387 1.00 0.00 C ATOM 889 CG ARG A 56 -2.411 35.493 -0.101 1.00 0.00 C ATOM 890 CD ARG A 56 -2.724 34.153 -0.771 1.00 0.00 C ATOM 891 NE ARG A 56 -2.360 34.209 -2.182 1.00 0.00 N ATOM 892 CZ ARG A 56 -1.196 33.740 -2.620 1.00 0.00 C ATOM 893 NH1 ARG A 56 -0.359 33.171 -1.793 1.00 0.00 N ATOM 894 NH2 ARG A 56 -0.893 33.846 -3.884 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.401 35.996 0.899 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.609 37.436 -0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.339 34.912 -0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.896 35.004 1.361 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.088 35.660 0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.567 36.310 -0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.175 33.352 -0.276 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.785 33.924 -0.668 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.014 34.618 -2.849 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.597 33.085 -0.805 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.533 32.813 -2.136 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.548 34.287 -4.530 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.001 33.488 -4.226 1.00 0.00 H new ATOM 908 N HIS A 57 -0.660 37.625 2.797 1.00 0.00 N ATOM 909 CA HIS A 57 -1.288 38.299 3.931 1.00 0.00 C ATOM 910 C HIS A 57 -0.428 39.453 4.438 1.00 0.00 C ATOM 911 O HIS A 57 -0.625 39.921 5.555 1.00 0.00 O ATOM 912 CB HIS A 57 -1.506 37.311 5.080 1.00 0.00 C ATOM 913 CG HIS A 57 -2.520 36.272 4.688 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.881 36.531 4.702 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.390 34.963 4.295 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.513 35.403 4.330 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.652 34.416 4.071 1.00 0.00 N ATOM 0 H HIS A 57 0.199 37.124 3.025 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.244 38.693 3.586 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.563 36.829 5.339 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.846 37.844 5.968 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.454 34.438 4.177 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.586 35.308 4.251 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.871 33.465 3.773 1.00 0.00 H new ATOM 926 N ARG A 58 0.520 39.916 3.628 1.00 0.00 N ATOM 927 CA ARG A 58 1.384 41.018 4.042 1.00 0.00 C ATOM 928 C ARG A 58 0.545 42.180 4.570 1.00 0.00 C ATOM 929 O ARG A 58 0.949 42.888 5.492 1.00 0.00 O ATOM 930 CB ARG A 58 2.226 41.491 2.857 1.00 0.00 C ATOM 931 CG ARG A 58 1.300 41.955 1.733 1.00 0.00 C ATOM 932 CD ARG A 58 2.118 42.170 0.463 1.00 0.00 C ATOM 933 NE ARG A 58 3.199 43.116 0.714 1.00 0.00 N ATOM 934 CZ ARG A 58 3.744 43.809 -0.274 1.00 0.00 C ATOM 935 NH1 ARG A 58 3.325 43.637 -1.498 1.00 0.00 N ATOM 936 NH2 ARG A 58 4.703 44.654 -0.023 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.708 39.552 2.694 1.00 0.00 H new ATOM 0 HA ARG A 58 2.042 40.666 4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.881 42.306 3.164 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.867 40.682 2.505 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.522 41.212 1.557 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.799 42.880 2.018 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.529 41.220 0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.475 42.544 -0.333 1.00 0.00 H new ATOM 0 HE ARG A 58 3.541 43.246 1.666 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.579 42.969 -1.693 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.744 44.170 -2.260 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.033 44.781 0.934 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.124 45.188 -0.783 1.00 0.00 H new ATOM 950 N ASP A 59 -0.630 42.355 3.976 1.00 0.00 N ATOM 951 CA ASP A 59 -1.540 43.423 4.381 1.00 0.00 C ATOM 952 C ASP A 59 -1.904 43.289 5.858 1.00 0.00 C ATOM 953 O ASP A 59 -2.140 44.284 6.542 1.00 0.00 O ATOM 954 CB ASP A 59 -2.806 43.395 3.524 1.00 0.00 C ATOM 955 CG ASP A 59 -2.480 43.846 2.102 1.00 0.00 C ATOM 956 OD1 ASP A 59 -1.316 44.103 1.835 1.00 0.00 O ATOM 957 OD2 ASP A 59 -3.401 43.943 1.306 1.00 0.00 O1- ATOM 0 H ASP A 59 -0.976 41.773 3.213 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.035 44.378 4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.223 42.388 3.509 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.564 44.048 3.957 1.00 0.00 H new ATOM 962 N MET A 60 -1.942 42.053 6.343 1.00 0.00 N ATOM 963 CA MET A 60 -2.269 41.780 7.738 1.00 0.00 C ATOM 964 C MET A 60 -1.305 42.501 8.679 1.00 0.00 C ATOM 965 O MET A 60 -1.648 42.820 9.816 1.00 0.00 O ATOM 966 CB MET A 60 -2.180 40.272 7.980 1.00 0.00 C ATOM 967 CG MET A 60 -0.707 39.850 8.017 1.00 0.00 C ATOM 968 SD MET A 60 -0.143 39.701 9.728 1.00 0.00 S ATOM 969 CE MET A 60 1.632 39.740 9.369 1.00 0.00 C ATOM 0 H MET A 60 -1.749 41.220 5.787 1.00 0.00 H new ATOM 0 HA MET A 60 -3.278 42.141 7.939 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.668 40.014 8.920 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.704 39.734 7.190 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.581 38.898 7.501 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.098 40.583 7.488 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.131 38.939 9.915 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.790 39.603 8.299 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.044 40.701 9.677 1.00 0.00 H new ATOM 979 N CYS A 61 -0.096 42.742 8.194 1.00 0.00 N ATOM 980 CA CYS A 61 0.941 43.406 8.983 1.00 0.00 C ATOM 981 C CYS A 61 0.522 44.819 9.386 1.00 0.00 C ATOM 982 O CYS A 61 0.956 45.332 10.418 1.00 0.00 O ATOM 983 CB CYS A 61 2.226 43.479 8.155 1.00 0.00 C ATOM 984 SG CYS A 61 2.065 44.781 6.909 1.00 0.00 S ATOM 0 H CYS A 61 0.196 42.487 7.251 1.00 0.00 H new ATOM 0 HA CYS A 61 1.101 42.828 9.893 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.078 43.684 8.803 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.416 42.520 7.673 1.00 0.00 H new ATOM 0 HG CYS A 61 1.587 44.274 5.811 1.00 0.00 H new ATOM 990 N GLU A 62 -0.300 45.445 8.557 1.00 0.00 N ATOM 991 CA GLU A 62 -0.755 46.807 8.814 1.00 0.00 C ATOM 992 C GLU A 62 -1.858 46.869 9.875 1.00 0.00 C ATOM 993 O GLU A 62 -2.196 47.954 10.349 1.00 0.00 O ATOM 994 CB GLU A 62 -1.244 47.437 7.506 1.00 0.00 C ATOM 995 CG GLU A 62 -0.054 47.588 6.558 1.00 0.00 C ATOM 996 CD GLU A 62 -0.496 48.221 5.244 1.00 0.00 C ATOM 997 OE1 GLU A 62 -1.690 48.418 5.075 1.00 0.00 O ATOM 998 OE2 GLU A 62 0.366 48.495 4.422 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.667 45.033 7.699 1.00 0.00 H new ATOM 0 HA GLU A 62 0.093 47.369 9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.013 46.813 7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.697 48.409 7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.715 48.204 7.025 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.392 46.612 6.367 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.431 45.721 10.242 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.506 45.705 11.239 1.00 0.00 C ATOM 1007 C LYS A 63 -2.955 45.681 12.665 1.00 0.00 C ATOM 1008 O LYS A 63 -3.655 45.272 13.593 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.391 44.471 11.055 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.840 44.359 9.603 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.969 43.326 9.503 1.00 0.00 C ATOM 1012 CE LYS A 63 -5.505 41.981 10.069 1.00 0.00 C ATOM 1013 NZ LYS A 63 -6.291 40.883 9.436 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.176 44.805 9.872 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.085 46.617 11.090 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.843 43.574 11.344 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.261 44.537 11.708 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.184 45.328 9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.002 44.062 8.973 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.843 43.677 10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.272 43.206 8.463 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.441 41.840 9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.639 41.963 11.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.979 39.968 9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.302 41.017 9.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.142 40.898 8.407 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.721 46.140 12.850 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.135 46.175 14.189 1.00 0.00 C ATOM 1029 C TRP A 64 0.161 46.974 14.214 1.00 0.00 C ATOM 1030 O TRP A 64 0.385 47.772 15.123 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.857 44.764 14.713 1.00 0.00 C ATOM 1032 CG TRP A 64 -0.968 43.767 13.615 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.131 43.671 12.556 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -1.951 42.707 13.460 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.546 42.620 11.759 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.665 41.997 12.274 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.056 42.302 14.228 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.450 40.921 11.865 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.846 41.219 13.818 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.542 40.530 12.639 1.00 0.00 C ATOM 0 H TRP A 64 -1.116 46.487 12.106 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.866 46.662 14.834 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.141 44.722 15.150 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.563 44.519 15.507 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.719 44.309 12.365 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.082 42.339 10.895 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.298 42.828 15.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.214 40.393 10.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.693 40.915 14.415 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.153 39.695 12.328 1.00 0.00 H new ATOM 1051 N LYS A 65 1.025 46.732 13.232 1.00 0.00 N ATOM 1052 CA LYS A 65 2.308 47.420 13.186 1.00 0.00 C ATOM 1053 C LYS A 65 3.186 46.958 14.351 1.00 0.00 C ATOM 1054 O LYS A 65 4.406 47.110 14.321 1.00 0.00 O ATOM 1055 CB LYS A 65 2.096 48.930 13.269 1.00 0.00 C ATOM 1056 CG LYS A 65 3.390 49.651 12.903 1.00 0.00 C ATOM 1057 CD LYS A 65 3.190 51.153 13.101 1.00 0.00 C ATOM 1058 CE LYS A 65 4.400 51.904 12.547 1.00 0.00 C ATOM 1059 NZ LYS A 65 5.607 51.515 13.321 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.863 46.075 12.469 1.00 0.00 H new ATOM 0 HA LYS A 65 2.803 47.182 12.245 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.296 49.232 12.593 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.785 49.209 14.276 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.210 49.294 13.526 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.660 49.439 11.868 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.282 51.480 12.594 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.062 51.378 14.160 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.538 51.669 11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.239 52.980 12.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.379 52.182 13.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.389 51.536 14.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.899 50.555 13.049 1.00 0.00 H new ATOM 1073 N SER A 66 2.552 46.378 15.374 1.00 0.00 N ATOM 1074 CA SER A 66 3.289 45.884 16.534 1.00 0.00 C ATOM 1075 C SER A 66 3.771 44.459 16.268 1.00 0.00 C ATOM 1076 O SER A 66 2.982 43.575 15.941 1.00 0.00 O ATOM 1077 CB SER A 66 2.399 45.922 17.781 1.00 0.00 C ATOM 1078 OG SER A 66 1.251 45.116 17.568 1.00 0.00 O ATOM 0 H SER A 66 1.542 46.241 15.421 1.00 0.00 H new ATOM 0 HA SER A 66 4.154 46.524 16.708 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.953 45.562 18.648 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.101 46.948 17.997 1.00 0.00 H new ATOM 0 HG SER A 66 0.509 45.454 18.111 1.00 0.00 H new ATOM 1084 N LYS A 67 5.079 44.257 16.386 1.00 0.00 N ATOM 1085 CA LYS A 67 5.676 42.948 16.128 1.00 0.00 C ATOM 1086 C LYS A 67 5.097 41.861 17.026 1.00 0.00 C ATOM 1087 O LYS A 67 4.701 40.800 16.543 1.00 0.00 O ATOM 1088 CB LYS A 67 7.185 43.026 16.356 1.00 0.00 C ATOM 1089 CG LYS A 67 7.836 41.676 16.031 1.00 0.00 C ATOM 1090 CD LYS A 67 7.949 41.511 14.517 1.00 0.00 C ATOM 1091 CE LYS A 67 9.085 40.538 14.192 1.00 0.00 C ATOM 1092 NZ LYS A 67 10.301 41.313 13.811 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.746 44.979 16.658 1.00 0.00 H new ATOM 0 HA LYS A 67 5.451 42.684 15.095 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.616 43.807 15.729 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.391 43.298 17.391 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.824 41.618 16.488 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.243 40.864 16.452 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.009 41.138 14.110 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.138 42.477 14.049 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.297 39.907 15.055 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.791 39.876 13.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.467 41.218 12.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.162 42.316 14.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.124 40.946 14.331 1.00 0.00 H new ATOM 1106 N GLU A 68 5.090 42.099 18.330 1.00 0.00 N ATOM 1107 CA GLU A 68 4.599 41.087 19.261 1.00 0.00 C ATOM 1108 C GLU A 68 3.168 40.665 18.945 1.00 0.00 C ATOM 1109 O GLU A 68 2.839 39.478 19.021 1.00 0.00 O ATOM 1110 CB GLU A 68 4.665 41.617 20.689 1.00 0.00 C ATOM 1111 CG GLU A 68 4.151 40.541 21.645 1.00 0.00 C ATOM 1112 CD GLU A 68 4.197 41.059 23.077 1.00 0.00 C ATOM 1113 OE1 GLU A 68 4.089 42.261 23.252 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 4.338 40.247 23.977 1.00 0.00 O ATOM 0 H GLU A 68 5.411 42.965 18.763 1.00 0.00 H new ATOM 0 HA GLU A 68 5.239 40.211 19.156 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.690 41.887 20.943 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.064 42.522 20.783 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.130 40.265 21.381 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.759 39.641 21.554 1.00 0.00 H new ATOM 1121 N ASP A 69 2.321 41.625 18.596 1.00 0.00 N ATOM 1122 CA ASP A 69 0.935 41.303 18.282 1.00 0.00 C ATOM 1123 C ASP A 69 0.873 40.382 17.078 1.00 0.00 C ATOM 1124 O ASP A 69 0.116 39.416 17.060 1.00 0.00 O ATOM 1125 CB ASP A 69 0.148 42.578 17.977 1.00 0.00 C ATOM 1126 CG ASP A 69 0.108 43.487 19.204 1.00 0.00 C ATOM 1127 OD1 ASP A 69 0.641 43.095 20.228 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 -0.451 44.567 19.095 1.00 0.00 O ATOM 0 H ASP A 69 2.562 42.613 18.524 1.00 0.00 H new ATOM 0 HA ASP A 69 0.495 40.805 19.146 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.608 43.105 17.141 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.867 42.322 17.673 1.00 0.00 H new ATOM 1133 N ILE A 70 1.672 40.691 16.068 1.00 0.00 N ATOM 1134 CA ILE A 70 1.690 39.885 14.857 1.00 0.00 C ATOM 1135 C ILE A 70 2.039 38.431 15.152 1.00 0.00 C ATOM 1136 O ILE A 70 1.352 37.521 14.698 1.00 0.00 O ATOM 1137 CB ILE A 70 2.707 40.433 13.862 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.278 41.820 13.383 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.779 39.483 12.671 1.00 0.00 C ATOM 1140 CD1 ILE A 70 3.337 42.380 12.431 1.00 0.00 C ATOM 0 H ILE A 70 2.311 41.486 16.062 1.00 0.00 H new ATOM 0 HA ILE A 70 0.687 39.931 14.433 1.00 0.00 H new ATOM 0 HB ILE A 70 3.683 40.514 14.341 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.314 41.760 12.877 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.150 42.487 14.235 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.503 39.860 11.948 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.088 38.495 13.012 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.798 39.414 12.200 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.032 43.369 12.089 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.292 42.455 12.952 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.443 41.716 11.573 1.00 0.00 H new ATOM 1152 N LEU A 71 3.120 38.215 15.888 1.00 0.00 N ATOM 1153 CA LEU A 71 3.557 36.860 16.199 1.00 0.00 C ATOM 1154 C LEU A 71 2.451 36.054 16.863 1.00 0.00 C ATOM 1155 O LEU A 71 2.245 34.887 16.538 1.00 0.00 O ATOM 1156 CB LEU A 71 4.767 36.919 17.123 1.00 0.00 C ATOM 1157 CG LEU A 71 5.889 37.709 16.447 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.164 37.599 17.282 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.155 37.146 15.048 1.00 0.00 C ATOM 0 H LEU A 71 3.706 38.953 16.278 1.00 0.00 H new ATOM 0 HA LEU A 71 3.819 36.365 15.264 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.494 37.390 18.067 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.108 35.911 17.357 1.00 0.00 H new ATOM 0 HG LEU A 71 5.589 38.754 16.365 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.964 38.162 16.801 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.983 38.005 18.277 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.456 36.552 17.364 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.955 37.714 14.573 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.450 36.100 15.127 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.249 37.223 14.447 1.00 0.00 H new ATOM 1171 N HIS A 72 1.747 36.678 17.791 1.00 0.00 N ATOM 1172 CA HIS A 72 0.669 35.996 18.492 1.00 0.00 C ATOM 1173 C HIS A 72 -0.403 35.535 17.507 1.00 0.00 C ATOM 1174 O HIS A 72 -0.871 34.400 17.575 1.00 0.00 O ATOM 1175 CB HIS A 72 0.057 36.933 19.535 1.00 0.00 C ATOM 1176 CG HIS A 72 -0.890 36.164 20.415 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -1.739 36.795 21.311 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -1.133 34.820 20.551 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -2.446 35.840 21.941 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -2.115 34.618 21.515 1.00 0.00 N ATOM 0 H HIS A 72 1.898 37.646 18.076 1.00 0.00 H new ATOM 0 HA HIS A 72 1.076 35.118 18.993 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.844 37.384 20.139 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.472 37.748 19.040 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.637 34.038 19.994 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.190 36.037 22.699 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.500 33.727 21.829 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.777 36.414 16.583 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.789 36.066 15.586 1.00 0.00 C ATOM 1191 C LYS A 73 -1.296 34.948 14.673 1.00 0.00 C ATOM 1192 O LYS A 73 -2.007 33.970 14.442 1.00 0.00 O ATOM 1193 CB LYS A 73 -2.170 37.289 14.754 1.00 0.00 C ATOM 1194 CG LYS A 73 -3.198 38.134 15.513 1.00 0.00 C ATOM 1195 CD LYS A 73 -2.815 38.240 16.992 1.00 0.00 C ATOM 1196 CE LYS A 73 -3.530 39.441 17.619 1.00 0.00 C ATOM 1197 NZ LYS A 73 -2.951 40.709 17.083 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.403 37.359 16.502 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.672 35.713 16.119 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.283 37.885 14.540 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.582 36.974 13.795 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.255 39.130 15.073 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.187 37.686 15.418 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.090 37.325 17.517 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.735 38.353 17.092 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.597 39.396 17.400 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.426 39.413 18.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.148 41.487 17.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.923 40.601 16.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.379 40.923 16.159 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.085 35.097 14.151 1.00 0.00 N ATOM 1212 CA LEU A 74 0.468 34.077 13.265 1.00 0.00 C ATOM 1213 C LEU A 74 0.508 32.731 13.968 1.00 0.00 C ATOM 1214 O LEU A 74 0.191 31.706 13.370 1.00 0.00 O ATOM 1215 CB LEU A 74 1.873 34.467 12.793 1.00 0.00 C ATOM 1216 CG LEU A 74 1.776 35.430 11.601 1.00 0.00 C ATOM 1217 CD1 LEU A 74 0.639 36.434 11.808 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.097 36.189 11.432 1.00 0.00 C ATOM 0 H LEU A 74 0.524 35.897 14.320 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.179 34.000 12.391 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.422 34.938 13.608 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.430 33.575 12.507 1.00 0.00 H new ATOM 0 HG LEU A 74 1.572 34.844 10.705 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.588 37.107 10.952 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.306 35.899 11.906 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.824 37.012 12.713 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.020 36.870 10.584 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.308 36.759 12.337 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.905 35.479 11.254 1.00 0.00 H new ATOM 1230 N ASN A 75 0.872 32.737 15.242 1.00 0.00 N ATOM 1231 CA ASN A 75 0.916 31.498 15.998 1.00 0.00 C ATOM 1232 C ASN A 75 -0.451 30.820 15.934 1.00 0.00 C ATOM 1233 O ASN A 75 -0.551 29.610 15.725 1.00 0.00 O ATOM 1234 CB ASN A 75 1.285 31.790 17.455 1.00 0.00 C ATOM 1235 CG ASN A 75 2.668 32.434 17.526 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.501 32.217 16.646 1.00 0.00 O ATOM 1237 ND2 ASN A 75 2.962 33.222 18.527 1.00 0.00 N ATOM 0 H ASN A 75 1.137 33.572 15.765 1.00 0.00 H new ATOM 0 HA ASN A 75 1.670 30.837 15.570 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.543 32.453 17.901 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.275 30.866 18.033 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.883 33.658 18.580 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.271 33.401 19.255 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.498 31.622 16.116 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.865 31.116 16.081 1.00 0.00 C ATOM 1246 C GLU A 76 -3.240 30.643 14.678 1.00 0.00 C ATOM 1247 O GLU A 76 -3.886 29.609 14.513 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.832 32.215 16.519 1.00 0.00 C ATOM 1249 CG GLU A 76 -3.535 32.610 17.967 1.00 0.00 C ATOM 1250 CD GLU A 76 -4.575 33.612 18.450 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.452 33.944 17.669 1.00 0.00 O ATOM 1252 OE2 GLU A 76 -4.478 34.035 19.590 1.00 0.00 O1- ATOM 0 H GLU A 76 -1.424 32.624 16.289 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.931 30.268 16.762 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.733 33.083 15.867 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.861 31.866 16.430 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.544 31.726 18.604 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.538 33.044 18.038 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.829 31.401 13.669 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.127 31.039 12.292 1.00 0.00 C ATOM 1261 C GLN A 77 -2.347 29.787 11.910 1.00 0.00 C ATOM 1262 O GLN A 77 -2.838 28.925 11.185 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.759 32.202 11.370 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.635 33.405 11.720 1.00 0.00 C ATOM 1265 CD GLN A 77 -3.220 34.618 10.899 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -2.763 34.475 9.765 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -3.345 35.812 11.412 1.00 0.00 N ATOM 0 H GLN A 77 -2.293 32.262 13.778 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.192 30.830 12.189 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.705 32.456 11.485 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.906 31.918 10.328 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.682 33.169 11.529 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.548 33.630 12.783 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.724 35.926 12.352 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.064 36.631 10.873 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.127 29.700 12.424 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.267 28.557 12.160 1.00 0.00 C ATOM 1278 C TRP A 78 -0.949 27.254 12.578 1.00 0.00 C ATOM 1279 O TRP A 78 -0.997 26.294 11.809 1.00 0.00 O ATOM 1280 CB TRP A 78 1.029 28.721 12.947 1.00 0.00 C ATOM 1281 CG TRP A 78 2.168 28.167 12.165 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.388 26.854 11.934 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.246 28.888 11.509 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.546 26.721 11.191 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.109 27.950 10.901 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.556 30.254 11.389 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.244 28.353 10.199 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.695 30.663 10.681 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.540 29.714 10.088 1.00 0.00 C ATOM 0 H TRP A 78 -0.711 30.410 13.027 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.060 28.512 11.091 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.203 29.775 13.163 1.00 0.00 H new ATOM 0 HB3 TRP A 78 0.950 28.208 13.905 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.762 26.042 12.274 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.937 25.827 10.894 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.913 30.993 11.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.891 27.618 9.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.923 31.715 10.592 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.418 30.034 9.547 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.484 27.233 13.798 1.00 0.00 N ATOM 1301 CA ASN A 79 -2.171 26.048 14.304 1.00 0.00 C ATOM 1302 C ASN A 79 -3.486 25.854 13.566 1.00 0.00 C ATOM 1303 O ASN A 79 -3.935 24.731 13.342 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.453 26.203 15.802 1.00 0.00 C ATOM 1305 CG ASN A 79 -1.183 25.970 16.610 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -0.674 24.849 16.661 1.00 0.00 O ATOM 1307 ND2 ASN A 79 -0.640 26.965 17.254 1.00 0.00 N ATOM 0 H ASN A 79 -1.455 28.017 14.449 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.532 25.180 14.143 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.842 27.201 16.004 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.222 25.494 16.109 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.208 26.816 17.801 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.063 27.892 17.210 1.00 0.00 H new ATOM 1314 N LYS A 80 -4.104 26.970 13.216 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.379 26.949 12.525 1.00 0.00 C ATOM 1316 C LYS A 80 -5.269 26.318 11.138 1.00 0.00 C ATOM 1317 O LYS A 80 -6.189 25.632 10.686 1.00 0.00 O ATOM 1318 CB LYS A 80 -5.907 28.378 12.404 1.00 0.00 C ATOM 1319 CG LYS A 80 -7.309 28.353 11.801 1.00 0.00 C ATOM 1320 CD LYS A 80 -8.329 27.942 12.869 1.00 0.00 C ATOM 1321 CE LYS A 80 -9.724 27.899 12.251 1.00 0.00 C ATOM 1322 NZ LYS A 80 -10.538 29.015 12.798 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.740 27.905 13.401 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.069 26.338 13.107 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.930 28.853 13.385 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.241 28.971 11.778 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.561 29.336 11.404 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.343 27.654 10.965 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.070 26.965 13.277 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.309 28.649 13.698 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.656 27.981 11.166 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.202 26.944 12.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.489 28.989 12.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.612 28.917 13.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.083 29.922 12.568 1.00 0.00 H new ATOM 1336 N ASP A 81 -4.159 26.564 10.457 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.967 26.024 9.117 1.00 0.00 C ATOM 1338 C ASP A 81 -3.080 24.783 9.153 1.00 0.00 C ATOM 1339 O ASP A 81 -2.945 24.144 8.122 1.00 0.00 O ATOM 1340 CB ASP A 81 -3.334 27.089 8.224 1.00 0.00 C ATOM 1341 CG ASP A 81 -4.249 28.308 8.149 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -5.440 28.141 8.352 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 -3.745 29.388 7.888 1.00 0.00 O ATOM 1344 OXT ASP A 81 -2.549 24.490 10.211 1.00 0.00 O ATOM 0 H ASP A 81 -3.384 27.128 10.805 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.939 25.738 8.714 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.360 27.377 8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.166 26.687 7.225 1.00 0.00 H new